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Showing CypComp Card for CC01968: KR-60436 (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:36:02 UTC
Last Updated2019-10-01 21:41:09 UTC
CypComp IDCC01968
Compound Information
NameKR-60436
Structure ImageZfdxquvdlkgyil uhfffaoysa n
InChIKeyZFDXQUVDLKGYIL-UHFFFAOYSA-N
PubChem ID10113707
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <31,30;Cleavage;R1>
  • <31,H;Oxidation;R1>
  • <19,14;Cleavage;R2>
  • <19,H;Oxidation;R2>
  • Not Available
  • Not Available
  • Not Available
  • <31,30;Cleavage;R1>
  • <31,H;Oxidation;R1>
  • <19,14;Cleavage;R2>
  • <19,H;Oxidation;R2>
  • <8,10;Dehydrogenation;R3>
  • <31,30;Cleavage;R1>
  • <31,H;Oxidation;R1>
  • <19,14;Cleavage;R2>
  • <19,H;Oxidation;R2>
  • <31,30;Cleavage;R1>
  • <31,H;Oxidation;R1>
  • <19,14;Cleavage;R2>
  • <19,H;Oxidation;R2>
  • <8,10;Dehydrogenation;R3>
  • Not Available
  • <31,30;Cleavage;R1>
  • <31,H;Oxidation;R1>
  • <19,14;Cleavage;R2>
  • <19,H;Oxidation;R2>
  • <8,10;Dehydrogenation;R3>
References
  1. Ji HY, Lee HW, Kim HH, Choi JK, Lee HS: Characterization of human liver cytochrome P450 enzymes involved in the metabolism of a new H+/K+-ATPase inhibitor KR-60436. Toxicol Lett. 2005 Jan 15;155(1):103-14. doi: 10.1016/j.toxlet.2004.09.001. [PubMed:15585365 ]
Download FileCC01968.sdf